diff --git a/emmet-core/emmet/core/neb.py b/emmet-core/emmet/core/neb.py index 41b13e3584..773b276e27 100644 --- a/emmet-core/emmet/core/neb.py +++ b/emmet-core/emmet/core/neb.py @@ -517,3 +517,11 @@ def max_barriers(self) -> dict[str, float]: idx: max(self.forward_barriers[idx], self.reverse_barriers[idx]) for idx in self.forward_barriers } + + @property + def barrier_ranges(self) -> dict[str,float | None]: + """Retrieve the max minus min computed energy along each hop.""" + return { + idx : neb_calc.barrier_energy_range + for idx, neb_calc in self.hops.items() + } \ No newline at end of file